| SpectraBase Compound ID | JfGZu0RvNrx |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)11-20(25)22(14,3)19(16)8-9-21(17,18)2/h4,13,15-20,23-25H,5-12H2,1-3H3/t13-,15-,16+,17-,18+,19+,20+,21-,22+/m1/s1 |
| InChIKey | ZQUGSRZUSYJMRF-BPRCXSBHSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F9gTetvZKNr |
|---|---|
| Name | Pregn-5-ene-1,3,21-triol, 20-methyl-, (1.alpha.,3.beta.,20S)- |
| CAS Registry Number | 66875-22-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)11-20(25)22(14,3)19(16)8-9-21(17,18)2/h4,13,15-20,23-25H,5-12H2,1-3H3/t13-,15-,16+,17-,18+,19+,20+,21-,22+/m1/s1 |
| InChIKey | ZQUGSRZUSYJMRF-BPRCXSBHSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | OC[C@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@]([C@](C[C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H] |
| SPLASH | splash10-053s-4219000000-f906a2fc44c21f0d66b2 |
| Source of Spectrum | H-64-1886-0 |
| Synonyms | (1S,2R,3S,5R,10S,11S,14R,15S)-14-[(2S)-1-hydroxypropan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-ene-3,5-diol (20S)-20-methyl-5-pregnen-1.alpha.,3.beta.,21-triol (1S,3R,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol (1S,3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxidanylpropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
| Wiley ID | 1340996 |